SCHEMBL30416403

SCHEMBL30416403

C=CCNC(=O)[C@H](CC(C)C)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CTSB P07858 4/20 0.43
CAPN1 P07384 2/20 0.43
CAPN9 O14815 2/20 0.43
MAPK1 P28482 1/20 0.43
CTSL P07711 5/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
ALPL P05186 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ANPEP P15144 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25384931 1.00 ATM (0.43) ATMCTSBCAPN1CAPN9MAPK1
SCHEMBL17870455 0.84 CAPN1 (0.47) CTSBCAPN1CAPN9MAPK1CTSL
SCHEMBL17870456 0.84 CAPN1 (0.47) CTSBCAPN1CAPN9MAPK1CTSL
SCHEMBL4236035 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL19137249 0.79 HPGD (0.42) ATMALDH1A1MAPTALPLLMNA
SCHEMBL17870476 0.77 CAPN1 (0.49) CTSBCAPN1CAPN9MAPK1CTSL
SCHEMBL6183239 0.76 CTSL (0.66) CTSBCTSLCTSSCTSK
SCHEMBL18941372 0.76 CAPN1 (0.62) CTSBCAPN1CAPN9MAPK1CTSL
SCHEMBL25330262 0.76 CAPN1 (0.48) CTSBCAPN1CAPN9MAPK1CTSL
SCHEMBL7456823 0.76 CTSL (0.66) CTSBCTSLCTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4172188-A1 CIS-BINDING SIGLEC AGONISTS AND RELATED COMPOSITIONS AND METHODS The Board of Trustees of the Leland Stanford Junior University (US) 2023-05-03 EP disclosed